Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7340826 | 0.86 | CACNA1C (0.51) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10914306 | 0.84 | CYP2C9 (0.46) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7342966 | 0.84 | CACNA1C (0.62) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10914016 | 0.84 | GAA (0.47) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10913383 | 0.84 | GAA (0.47) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7340281 | 0.83 | CYP2C9 (0.50) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL10915270 | 0.82 | KDM4E (0.45) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7348362 | 0.81 | CYP2C9 (0.58) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7348714 | 0.80 | CYP2C9 (0.69) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11060276 | 0.78 | ALDH1A1 (0.44) | CYP2C9KDM4ECYP1A2CYP3A4CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4466972-A | HYPOTENSIVE, ANTIISCHEMIC, ANTISPASMODIC AGENTS | SANDOZ LTD. (CH) | 1984-08-21 | — | — | US | claimed |